4,7-dimethyl-2-(4-phenylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one

C20H24N4O — CID 667243

IUPAC4,7-dimethyl-2-(4-phenylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one
SMILESCc1nc(N2CCN(c3ccccc3)CC2)nc2c1C(=O)CC(C)C2
InChIInChI=1S/C20H24N4O/c1-14-12-17-19(18(25)13-14)15(2)21-20(22-17)24-10-8-23(9-11-24)16-6-4-3-5-7-16/h3-7,14H,8-13H2,1-2H3
InChIKeyKUQYNIRNZLZCOE-UHFFFAOYSA-N
MW336.44 g/mol
LogP2.88
Rot. Bonds2

About 4,7-dimethyl-2-(4-phenylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one

4,7-dimethyl-2-(4-phenylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 667243) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is 4,7-dimethyl-2-(4-phenylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name4,7-dimethyl-2-(4-phenylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one
PubChem CID667243
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name4,7-dimethyl-2-(4-phenylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one
SMILESCc1nc(N2CCN(c3ccccc3)CC2)nc2c1C(=O)CC(C)C2
InChIInChI=1S/C20H24N4O/c1-14-12-17-19(18(25)13-14)15(2)21-20(22-17)24-10-8-23(9-11-24)16-6-4-3-5-7-16/h3-7,14H,8-13H2,1-2H3
InChIKeyKUQYNIRNZLZCOE-UHFFFAOYSA-N
XLogP2.88
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4,7-dimethyl-2-(4-phenylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4,7-dimethyl-2-(4-phenylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of 4,7-dimethyl-2-(4-phenylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one (CID 667243) is 4,7-dimethyl-2-(4-phenylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for 4,7-dimethyl-2-(4-phenylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for 4,7-dimethyl-2-(4-phenylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one is Cc1nc(N2CCN(c3ccccc3)CC2)nc2c1C(=O)CC(C)C2.
What is the InChIKey of 4,7-dimethyl-2-(4-phenylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is KUQYNIRNZLZCOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c1-14-12-17-19(18(25)13-14)15(2)21-20(22-17)24-10-8-23(9-11-24)16-6-4-3-5-7-16/h3-7,14H,8-13H2,1-2H3.
What are the key properties of 4,7-dimethyl-2-(4-phenylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one?
4,7-dimethyl-2-(4-phenylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 336.44 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dimethyl-2-(4-phenylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 667243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).